Self-consistent field calculation at HSE06 level with SOC by reading the converged charge density at step I.. It is helpful to create a minimal reproducible example when reporting an issue to a colleague, supervisor, or on the VASP forum, but also as a .... Although the direction of the magnetization densities is meaningless in a spin-polarized calculation (no spin-orbit coupling, see LSORBIT), here ....

While the color of metallic gold is a prominent and well-investigated example ... potentials from the VASP library. The defaults PAWs.

have 11 .... LSORBIT = .TRUE.

SAXIS = s_x s_y s_z (quantisation axis for spin) ... example consider AF bcc Cr with the POSCAR file: Cr: AF 2.80000 ....